StreamableVernalis custom KNIME nodes package version 1.12.0.v201708101336 by Vernalis (R&D), UK
Provides a SMARTSviewer visualisation
of a column of SMARTs strings
using the service provided by the University of Hamburg. The node performs no validation
of the SMARTs strings prior to sending to the webservice. For more detailed information
about the implementation see either the Help file at http://smartsview.zbh.uni-hamburg.de/smartsview/view
or the following reference:
K. Schomburg, H.-C. Ehrlich, K. Stierand, M.Rarey; From Structure Diagrams to Visual Chemical Patterns, J. Chem. Inf. Model., 2010, 50, pp 1529-1535
The Communication Error Settings tab allows setting of behaviour relating to server communication problem handling. The values set are applied to each row in turn. The server will only be contacted until a successful result is returned. The settings allow the user to control the behaviour of the node should the SMARTSviewer server be functioning incorrectly. Note that it is not currently possible to cancel execution during a row, so use long delay settings with care!
Note that SMARTs strings are transferred to the remote server unencrypted, and the the server maintains an anonymous record of query SMARTs strings to aid future development.
To use this node in KNIME, install Vernalis custom KNIME nodes package from the following update site: